3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide

C24H30N4O2S — CID 24658934

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide (PubChem CID 24658934) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
• PubChem CID: 24658934
• Molecular Formula: C24H30N4O2S
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.21
• IUPAC Name: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
• SMILES: Cc1ccc(-c2nnc(CCC(=O)NCC(c3cccs3)N3CCC(C)CC3)o2)cc1
• InChI: InChI=1S/C24H30N4O2S/c1-17-5-7-19(8-6-17)24-27-26-23(30-24)10-9-22(29)25-16-20(21-4-3-15-31-21)28-13-11-18(2)12-14-28/h3-8,15,18,20H,9-14,16H2,1-2H3,(H,25,29)
• InChIKey: PBHFREIZVCQJSO-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.60
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide (CID 24658934) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide.

What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCC(c3cccs3)N3CCC(C)CC3)o2)cc1.

What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

The InChIKey is PBHFREIZVCQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-17-5-7-19(8-6-17)24-27-26-23(30-24)10-9-22(29)25-16-20(21-4-3-15-31-21)28-13-11-18(2)12-14-28/h3-8,15,18,20H,9-14,16H2,1-2H3,(H,25,29).

What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide?

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 438.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 24658934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).